ChemSpider 2D Image | 2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-trideoxy-3-(dimethylammonio)hexopyranosyl]oxy}-1-oxa-7-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexop yranoside | C40H78N2O12

2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-trideoxy-3-(dimethylammonio)hexopyranosyl]oxy}-1-oxa-7-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexop yranoside

  • Molecular FormulaC40H78N2O12
  • Average mass779.052 Da
  • Monoisotopic mass778.554382 Da
  • ChemSpider ID21234861

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Oxa-7-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methylhexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-7-propyl-11-[[3,4,6-trideoxy-3-(dimethylamino)hexopyrano syl]oxy]-, conjugate diacid [ACD/Index Name]
2,6-Didésoxy-3-C-méthyl-3-O-méthylhexopyranoside de 2-éthyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexaméthyl-15-oxo-7-propyl-11-{[3,4,6-tridésoxy-3-(diméthylammonio)hexopyranosyl]oxy}-1-oxa-7-azoniacyclope ntadécan-13-yle [French] [ACD/IUPAC Name]
2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-trideoxy-3-(dimethylammonio)hexopyranosyl]oxy}-1-oxa-7-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexop yranoside [ACD/IUPAC Name]
2-Ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-7-propyl-11-{[3,4,6-tridesoxy-3-(dimethylammonio)hexopyranosyl]oxy}-1-oxa-7-azoniacyclopentadecan-13-yl-2,6-didesoxy-3-C-methyl-3-O-methylhex opyranosid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.7±6.0 kJ/mol
Flash Point: 457.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.89
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 19.40
Polar Surface Area: 182 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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